CID 853676

6670-13-9

Structural Information

Molecular Formula
C15H11NOS
SMILES
C1=CC=C(C=C1)C2=C(OC(=S)N2)C3=CC=CC=C3
InChI
InChI=1S/C15H11NOS/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H,16,18)
InChIKey
NYQSTRUSYDZNHC-UHFFFAOYSA-N
Compound name
4,5-diphenyl-3H-1,3-oxazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

359
Patents

253.05614 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06342 154.2
[M+Na]+ 276.04536 164.7
[M-H]- 252.04886 163.2
[M+NH4]+ 271.08996 170.5
[M+K]+ 292.01930 159.2
[M+H-H2O]+ 236.05340 147.3
[M+HCOO]- 298.05434 172.6
[M+CH3COO]- 312.06999 167.4
[M+Na-2H]- 274.03081 157.2
[M]+ 253.05559 155.1
[M]- 253.05669 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe